Cohesive energy of silicon by the Green’s-function Monte Carlo method
- 15 November 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 44 (19), 10929-10932
- https://doi.org/10.1103/physrevb.44.10929
Abstract
The total energy of diamond-structure silicon is calculated by a fixed-node Green’s-function Monte Carlo method using a pseudo-Hamiltonian to eliminate the core electrons. This demonstrates the feasibility of calculating properties of solids with the quantum Monte Carlo method, since the statistical error for a supercell of 64 atoms isKeywords
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